[
  {
    "molid": "mol7016",
    "smiles": "CN(C)c1nc(N)cc(Cl)n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN(C)c1nc(N)cc(Cl)n1",
        "std_free_energy": -7.586817264556885,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[NH+](C)c1nc(N)cc(Cl)n1",
        "std_free_energy": -0.3420877158641815,
        "relative_population": 0.43745029018918324
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CN(C)c1nc(N)cc(Cl)[nH+]1",
        "std_free_energy": 0.28279292583465576,
        "relative_population": 0.23417821667878877
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "CN(C)c1nc([NH3+])cc(Cl)n1",
        "std_free_energy": 0.6078923940658569,
        "relative_population": 0.1691833379731964
      },
      {
        "id": "1_4",
        "charge": 1,
        "smiles": "CN(C)c1nc(Cl)cc(N)[nH+]1",
        "std_free_energy": 0.668788492679596,
        "relative_population": 0.15918815515883164
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.75,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]